chempirical

2-Methylsulfonylthiophene

C5H6O2S2CAS 38695-60-2162.22 g/mol

Open in Covalent MOL file
SOOS
Sulfone

Properties

Molecular formula
C5H6O2S2
Molar mass
162.22 g/mol
Exact mass
161.9809 Da
logP
1.15Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
38695-60-2
SMILES
CS(=O)(=O)C1=CC=CS1
InChIKey
BNYLGFINMVZZGA-UHFFFAOYSA-N
InChI
InChI=1S/C5H6O2S2/c1-9(6,7)5-3-2-4-8-5/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-Methylsulfonylthiophene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Thiophenesulfonyl chloride16629-19-952 % similar 2-Thiophenesulfonamide6339-87-352 % similar 2-Benzenesulfonylthiophene22407-40-548 % similar Methyl phenyl sulfone3112-85-448 % similar N-tert-Butyl-2-thiophenesulfonamide100342-30-147 % similar Thiophene-2-sulfonylacetonitrile175137-62-943 % similar Methyl p-tolyl sulfone3185-99-740 % similar p-Tolyl methyl sulfone59203-01-940 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook